SCHEMBL20952938

SCHEMBL20952938

CN1CC(=O)c2ccccc2C1(C)I

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
PGR P06401 6/20 0.35
KCNN4 O15554 1/20 0.33
KCNA3 P22001 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PLIN1 O60240 1/20 0.32
MAPT P10636 1/20 0.32
PLIN5 Q00G26 1/20 0.32
ABHD5 Q8WTS1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20618800 0.79 L3MBTL1 (0.36) NOTUMPGRKCNN4KCNA3CYP2D6
SCHEMBL21726114 0.72 HTR2C (0.44) HTR2AHTR2CHTR2BALDH1A1ACHE
SCHEMBL15490741 0.68 MEN1 (0.38) PGRHRH3TDP1MEN1KMT2A
SCHEMBL20465583 0.67 MEN1 (0.40) PGRHRH3MEN1KMT2A
SCHEMBL29581434 0.66 PGR (0.51) NOTUMPGRMEN1KMT2A
SCHEMBL182096 0.66 PGR (0.51) NOTUMPGRMEN1KMT2A
SCHEMBL30776885 0.66 NOTUM (0.58) NOTUMKCNN4KCNA3ALDH1A1MAPT
SCHEMBL6366299 0.66 NOTUM (0.58) NOTUMKCNN4KCNA3ALDH1A1MAPT
SCHEMBL21726115 0.66 MAPT (0.40) NOTUMPGRCYP2D6ALDH1A1MAPT
SCHEMBL18163131 0.64 MEN1 (0.38) PGRHRH3ALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors POLYPHOR AG (CH) 2019-04-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 NOTUM 3077/4885PGR 4079/4885KCNN4 4550/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.